#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:58:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179873 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/69/7016981.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7016981
loop_
_publ_author_name
'Ioffe, Ilya N.'
'Mazaleva, Olga N.'
'Chen, Chuanbao'
'Yang, Shangfeng'
'Kemnitz, Erhard'
'Troyanov, Sergey I.'
_publ_section_title
;
 C(76) fullerene chlorides and cage transformations. Structural and
 theoretical study.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11005
_journal_page_last               11011
_journal_paper_doi               10.1039/c1dt10256g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C76 Cl33.25 O1.32 P1.32'
_chemical_formula_weight         2153.59
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.6310(10)
_cell_length_b                   27.894(2)
_cell_length_c                   11.5340(10)
_cell_measurement_reflns_used    24000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32
_cell_measurement_theta_min      5
_cell_volume                     7126.9(10)
_computing_cell_refinement       XDS
_computing_data_collection       XDS
_computing_data_reduction        XDS
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device_type  MAR225
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  Cu(113)
_diffrn_radiation_source         'BL14.2, PSF, BESSY, Berlin, Germany'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.90500
_diffrn_reflns_av_R_equivalents  0.3050
_diffrn_reflns_av_sigmaI/netI    0.3411
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            20367
_diffrn_reflns_theta_full        32.60
_diffrn_reflns_theta_max         35.46
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    1.347
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.007
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4207
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.848
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         7346
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.3342
_refine_ls_R_factor_gt           0.1170
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0800P)²+10.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2498
_refine_ls_wR_factor_ref         0.2826
_reflns_number_gt                2322
_reflns_number_total             7346
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10256g.txt
_cod_data_source_block           x76pcl1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        7126.9(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7016981
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cl1 Cl 0.5513(2) 0.46094(14) 0.3720(4) 0.0726(13) Uani 1 1 d .
Cl2 Cl 0.4787(2) 0.43032(14) 0.5258(4) 0.0657(13) Uani 1 1 d .
Cl3 Cl 0.3582(2) 0.42425(13) 0.3113(4) 0.0632(12) Uani 1 1 d .
Cl4 Cl 0.30793(19) 0.34242(14) 0.4162(3) 0.0550(11) Uani 1 1 d .
Cl5 Cl 0.41775(18) 0.33282(14) 0.6496(3) 0.0532(10) Uani 1 1 d .
Cl6 Cl 0.39750(19) 0.22884(14) 0.6638(3) 0.0586(11) Uani 1 1 d .
Cl7 Cl 0.2910(2) 0.21052(16) 0.4404(3) 0.0652(12) Uani 1 1 d .
Cl8 Cl 0.42873(17) 0.11386(13) 0.6181(3) 0.0461(10) Uani 1 1 d .
Cl9 Cl 0.5492(2) 0.00609(12) 0.3734(3) 0.0552(11) Uani 1 1 d .
Cl10 Cl 0.64482(19) 0.04409(12) 0.1962(3) 0.0528(10) Uani 1 1 d .
Cl11 Cl 0.7528(2) 0.15178(16) 0.3461(4) 0.0680(12) Uani 1 1 d .
Cl12 Cl 0.59954(18) 0.08521(12) 0.6389(3) 0.0474(10) Uani 1 1 d .
Cl13 Cl 0.7189(2) 0.11389(16) 0.5527(3) 0.0650(12) Uani 1 1 d .
Cl14 Cl 0.70701(19) 0.20971(15) 0.6591(3) 0.0561(11) Uani 1 1 d .
Cl15 Cl 0.3479(4) 0.4443(3) 0.6521(8) 0.078(3) Uani 0.662(10) 1 d P
Cl16 Cl 0.2956(4) 0.5189(3) 0.4475(6) 0.081(3) Uani 0.662(10) 1 d P
Cl17 Cl 0.2162(4) 0.4356(3) 0.4580(9) 0.095(3) Uani 0.662(10) 1 d P
Cl19 Cl 0.372(3) 0.437(2) 0.759(5) 0.29(3) Uani 0.32(2) 1 d PU
Cl20 Cl 0.248(2) 0.4236(17) 0.567(5) 0.24(2) Uani 0.32(2) 1 d PU
P P 0.2745(3) 0.4806(2) 0.5688(7) 0.063(2) Uani 0.662(10) 1 d P
O O 0.2532(7) 0.5071(5) 0.6509(14) 0.055(4) Uani 0.662(10) 1 d P
C1 C 0.5162(8) 0.4043(5) 0.3210(14) 0.055(4) Uani 1 1 d .
C2 C 0.4727(9) 0.3870(5) 0.4082(14) 0.059(5) Uani 1 1 d .
C3 C 0.4071(7) 0.3733(5) 0.3398(13) 0.052(4) Uani 1 1 d .
C4 C 0.3767(8) 0.3276(5) 0.3940(13) 0.058(5) Uani 1 1 d .
C5 C 0.4215(7) 0.3028(5) 0.5162(12) 0.050(4) Uani 1 1 d .
C6 C 0.4123(7) 0.2436(4) 0.5268(12) 0.043(4) Uani 1 1 d .
C7 C 0.3638(6) 0.2161(5) 0.4140(10) 0.044(4) Uani 1 1 d .
C8 C 0.3839(6) 0.1664(5) 0.3967(10) 0.033(3) Uani 1 1 d .
C9 C 0.4422(7) 0.1426(5) 0.4873(11) 0.041(4) Uani 1 1 d .
C10 C 0.4543(7) 0.1037(4) 0.4052(10) 0.035(3) Uani 1 1 d .
C11 C 0.5087(6) 0.0920(5) 0.4105(11) 0.037(3) Uani 1 1 d .
C12 C 0.5257(7) 0.0653(4) 0.3151(10) 0.036(3) Uani 1 1 d .
C13 C 0.5797(6) 0.0915(4) 0.3153(10) 0.034(3) Uani 1 1 d .
C14 C 0.6010(6) 0.0953(5) 0.2061(10) 0.035(3) Uani 1 1 d .
C15 C 0.6325(6) 0.1424(5) 0.2093(11) 0.040(4) Uani 1 1 d .
C16 C 0.6745(7) 0.1648(5) 0.3316(10) 0.043(4) Uani 1 1 d .
C17 C 0.6638(6) 0.2174(5) 0.3153(10) 0.034(3) Uani 1 1 d .
C18 C 0.6490(6) 0.2431(4) 0.2038(11) 0.036(3) Uani 1 1 d .
C19 C 0.6399(6) 0.2912(5) 0.2106(10) 0.039(3) Uani 1 1 d .
C20 C 0.6313(7) 0.3114(5) 0.3153(11) 0.043(4) Uani 1 1 d .
C21 C 0.5975(8) 0.3538(5) 0.2853(13) 0.052(4) Uani 1 1 d .
C22 C 0.5636(7) 0.3671(5) 0.3548(11) 0.044(4) Uani 1 1 d .
C23 C 0.5617(7) 0.3361(5) 0.4512(11) 0.040(3) Uani 1 1 d .
C24 C 0.5080(7) 0.3432(4) 0.4699(11) 0.038(3) Uani 1 1 d .
C25 C 0.4824(7) 0.3065(5) 0.5154(11) 0.041(4) Uani 1 1 d .
C26 C 0.5138(6) 0.2623(5) 0.5419(11) 0.036(3) Uani 1 1 d .
C27 C 0.4755(7) 0.2259(5) 0.5428(10) 0.043(4) Uani 1 1 d .
C28 C 0.4904(6) 0.1774(4) 0.5279(9) 0.032(3) Uani 1 1 d .
C29 C 0.5501(6) 0.1680(5) 0.5254(9) 0.034(3) Uani 1 1 d .
C30 C 0.5646(5) 0.1185(5) 0.4962(9) 0.030(3) Uani 1 1 d .
C31 C 0.6055(6) 0.1200(4) 0.4190(9) 0.029(3) Uani 1 1 d .
C32 C 0.6582(6) 0.1505(5) 0.4481(10) 0.039(3) Uani 1 1 d .
C33 C 0.6507(7) 0.1979(5) 0.5097(11) 0.043(4) Uani 1 1 d .
C34 C 0.6558(6) 0.2364(5) 0.4189(10) 0.036(3) Uani 1 1 d .
C35 C 0.6326(6) 0.2819(5) 0.4143(10) 0.034(3) Uani 1 1 d .
C36 C 0.5945(6) 0.2935(5) 0.4832(10) 0.035(3) Uani 1 1 d .
C37 C 0.5704(7) 0.2540(5) 0.5303(10) 0.044(4) Uani 1 1 d .
C38 C 0.5905(6) 0.2056(5) 0.5268(9) 0.031(3) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Cl19 Cl15 P 128(3) . .
Cl19 Cl15 Cl20 117(3) . .
P Cl15 Cl20 46.5(12) . .
Cl20 Cl17 P 59(2) . .
Cl17 Cl20 P 81(3) . .
Cl17 Cl20 Cl15 121(3) . .
P Cl20 Cl15 55.9(15) . .
O P Cl20 105.9(14) . .
O P Cl15 113.7(9) . .
Cl20 P Cl15 77.6(18) . .
O P Cl16 115.3(7) . .
Cl20 P Cl16 133.5(15) . .
Cl15 P Cl16 103.4(4) . .
O P Cl17 115.7(8) . .
Cl20 P Cl17 39.5(17) . .
Cl15 P Cl17 106.9(5) . .
Cl16 P Cl17 100.3(5) . .
C22 C1 C1 109.2(10) . 2_655
C22 C1 C2 101.5(11) . .
C1 C1 C2 116.0(16) 2_655 .
C22 C1 Cl1 108.1(11) . .
C1 C1 Cl1 110.5(6) 2_655 .
C2 C1 Cl1 110.9(8) . .
C24 C2 C3 109.7(12) . .
C24 C2 C1 99.0(11) . .
C3 C2 C1 118.0(12) . .
C24 C2 Cl2 107.8(11) . .
C3 C2 Cl2 111.1(11) . .
C1 C2 Cl2 110.2(10) . .
C21 C3 C2 107.9(12) 2_655 .
C21 C3 C4 100.6(11) 2_655 .
C2 C3 C4 119.0(12) . .
C21 C3 Cl3 106.5(10) 2_655 .
C2 C3 Cl3 111.8(10) . .
C4 C3 Cl3 109.7(10) . .
C19 C4 C5 108.7(11) 2_655 .
C19 C4 C3 103.6(9) 2_655 .
C5 C4 C3 114.7(14) . .
C19 C4 Cl4 105.8(12) 2_655 .
C5 C4 Cl4 109.3(8) . .
C3 C4 Cl4 114.0(10) . .
C25 C5 C4 108.6(11) . .
C25 C5 C6 102.9(11) . .
C4 C5 C6 115.4(12) . .
C25 C5 Cl5 108.8(10) . .
C4 C5 Cl5 110.1(9) . .
C6 C5 Cl5 110.7(8) . .
C27 C6 C7 109.8(9) . .
C27 C6 C5 100.6(11) . .
C7 C6 C5 119.2(11) . .
C27 C6 Cl6 107.7(9) . .
C7 C6 Cl6 107.7(9) . .
C5 C6 Cl6 111.2(7) . .
C18 C7 C8 108.6(9) 2_655 .
C18 C7 C6 111.1(12) 2_655 .
C8 C7 C6 112.4(11) . .
C18 C7 Cl7 106.6(9) 2_655 .
C8 C7 Cl7 107.4(10) . .
C6 C7 Cl7 110.5(7) . .
C15 C8 C7 125.8(12) 2_655 .
C15 C8 C9 107.9(11) 2_655 .
C7 C8 C9 123.5(10) . .
C28 C9 C10 112.3(10) . .
C28 C9 C8 110.0(11) . .
C10 C9 C8 101.5(10) . .
C28 C9 Cl8 111.8(8) . .
C10 C9 Cl8 108.9(9) . .
C8 C9 Cl8 111.9(8) . .
C11 C10 C14 123.5(11) . 2_655
C11 C10 C9 122.7(13) . .
C14 C10 C9 110.3(12) 2_655 .
C10 C11 C12 127.0(13) . .
C10 C11 C30 121.4(11) . .
C12 C11 C30 108.9(11) . .
C13 C12 C11 101.9(10) . .
C13 C12 C12 112.6(9) . 2_655
C11 C12 C12 112.8(13) . 2_655
C13 C12 Cl9 107.5(10) . .
C11 C12 Cl9 108.0(8) . .
C12 C12 Cl9 113.2(4) 2_655 .
C31 C13 C12 114.0(9) . .
C31 C13 C14 120.2(12) . .
C12 C13 C14 124.9(11) . .
C10 C14 C15 99.3(11) 2_655 .
C10 C14 C13 106.4(10) 2_655 .
C15 C14 C13 110.2(9) . .
C10 C14 Cl10 114.9(9) 2_655 .
C15 C14 Cl10 113.9(9) . .
C13 C14 Cl10 111.4(9) . .
C8 C15 C14 115.8(12) 2_655 .
C8 C15 C16 121.5(12) 2_655 .
C14 C15 C16 122.1(10) . .
C17 C16 C15 104.9(10) . .
C17 C16 C32 106.1(10) . .
C15 C16 C32 114.0(11) . .
C17 C16 Cl11 109.2(9) . .
C15 C16 Cl11 108.0(8) . .
C32 C16 Cl11 114.2(9) . .
C34 C17 C18 122.1(12) . .
C34 C17 C16 109.8(10) . .
C18 C17 C16 126.5(10) . .
C19 C18 C17 116.2(10) . .
C19 C18 C7 124.3(11) . 2_655
C17 C18 C7 118.9(12) . 2_655
C18 C19 C20 120.9(11) . .
C18 C19 C4 127.8(11) . 2_655
C20 C19 C4 109.8(12) . 2_655
C35 C20 C21 123.1(12) . .
C35 C20 C19 119.7(13) . .
C21 C20 C19 111.4(11) . .
C22 C21 C20 119.0(11) . .
C22 C21 C3 126.9(15) . 2_655
C20 C21 C3 112.6(11) . 2_655
C21 C22 C23 118.5(13) . .
C21 C22 C1 125.6(12) . .
C23 C22 C1 113.9(11) . .
C24 C23 C36 122.6(12) . .
C24 C23 C22 108.6(13) . .
C36 C23 C22 124.0(11) . .
C23 C24 C25 120.2(12) . .
C23 C24 C2 115.5(12) . .
C25 C24 C2 122.4(14) . .
C24 C25 C26 117.4(12) . .
C24 C25 C5 128.4(13) . .
C26 C25 C5 112.7(12) . .
C27 C26 C37 122.1(12) . .
C27 C26 C25 110.5(13) . .
C37 C26 C25 124.6(12) . .
C26 C27 C28 121.0(12) . .
C26 C27 C6 112.5(12) . .
C28 C27 C6 124.6(13) . .
C27 C28 C29 117.4(12) . .
C27 C28 C9 118.5(12) . .
C29 C28 C9 122.5(11) . .
C38 C29 C28 121.7(11) . .
C38 C29 C30 118.8(10) . .
C28 C29 C30 118.4(11) . .
C29 C30 C31 110.4(9) . .
C29 C30 C11 112.2(10) . .
C31 C30 C11 102.4(9) . .
C29 C30 Cl12 109.7(7) . .
C31 C30 Cl12 111.3(8) . .
C11 C30 Cl12 110.7(8) . .
C13 C31 C32 128.3(10) . .
C13 C31 C30 108.1(11) . .
C32 C31 C30 123.4(10) . .
C31 C32 C33 112.4(11) . .
C31 C32 C16 113.5(10) . .
C33 C32 C16 106.0(10) . .
C31 C32 Cl13 103.9(9) . .
C33 C32 Cl13 111.4(9) . .
C16 C32 Cl13 109.7(9) . .
C38 C33 C34 106.8(11) . .
C38 C33 C32 116.5(12) . .
C34 C33 C32 103.8(9) . .
C38 C33 Cl14 105.2(7) . .
C34 C33 Cl14 108.4(10) . .
C32 C33 Cl14 115.6(10) . .
C35 C34 C17 119.7(11) . .
C35 C34 C33 123.2(9) . .
C17 C34 C33 112.8(12) . .
C34 C35 C20 117.9(11) . .
C34 C35 C36 120.5(11) . .
C20 C35 C36 118.8(13) . .
C23 C36 C35 116.4(11) . .
C23 C36 C37 119.8(12) . .
C35 C36 C37 116.6(12) . .
C26 C37 C36 115.2(12) . .
C26 C37 C38 119.5(12) . .
C36 C37 C38 122.2(11) . .
C29 C38 C37 117.9(12) . .
C29 C38 C33 123.5(11) . .
C37 C38 C33 118.1(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 C1 1.787(16) .
Cl2 C2 1.786(14) .
Cl3 C3 1.789(17) .
Cl4 C4 1.779(16) .
Cl5 C5 1.779(12) .
Cl6 C6 1.782(12) .
Cl7 C7 1.855(14) .
Cl8 C9 1.830(11) .
Cl9 C12 1.796(13) .
Cl10 C14 1.791(13) .
Cl11 C16 1.836(15) .
Cl12 C30 1.818(11) .
Cl13 C32 1.829(14) .
Cl14 C33 1.804(15) .
Cl15 Cl19 1.18(6) .
Cl15 P 1.948(11) .
Cl15 Cl20 2.30(5) .
Cl16 P 1.958(9) .
Cl17 Cl20 1.27(5) .
Cl17 P 1.968(11) .
Cl20 P 1.71(5) .
P O 1.424(13) .
C1 C22 1.48(2) .
C1 C1 1.55(3) 2_655
C1 C2 1.738(19) .
C2 C24 1.51(2) .
C2 C3 1.52(2) .
C3 C21 1.509(19) 2_655
C3 C4 1.686(19) .
C4 C19 1.520(19) 2_655
C4 C5 1.60(2) .
C5 C25 1.45(2) .
C5 C6 1.677(19) .
C6 C27 1.52(2) .
C6 C7 1.60(2) .
C7 C18 1.490(17) 2_655
C7 C8 1.499(19) .
C8 C15 1.329(17) 2_655
C8 C9 1.559(19) .
C9 C28 1.446(19) .
C9 C10 1.532(17) .
C10 C11 1.308(18) .
C10 C14 1.496(18) 2_655
C11 C12 1.495(16) .
C11 C30 1.537(18) .
C12 C13 1.470(19) .
C12 C12 1.57(3) 2_655
C13 C31 1.390(17) .
C13 C14 1.513(15) .
C14 C10 1.496(18) 2_655
C14 C15 1.505(18) .
C15 C8 1.329(17) 2_655
C15 C16 1.547(18) .
C16 C17 1.488(19) .
C16 C32 1.573(15) .
C17 C34 1.378(15) .
C17 C18 1.406(16) .
C18 C19 1.366(18) .
C18 C7 1.490(17) 2_655
C19 C20 1.410(16) .
C19 C4 1.520(19) 2_655
C20 C35 1.399(17) .
C20 C21 1.40(2) .
C21 C22 1.367(18) .
C21 C3 1.509(19) 2_655
C22 C23 1.421(18) .
C23 C24 1.374(18) .
C23 C36 1.399(19) .
C24 C25 1.382(18) .
C25 C26 1.415(18) .
C26 C27 1.365(18) .
C26 C37 1.408(19) .
C27 C28 1.422(18) .
C28 C29 1.446(18) .
C29 C38 1.414(18) .
C29 C30 1.489(17) .
C30 C31 1.525(14) .
C31 C32 1.448(18) .
C32 C33 1.540(18) .
C33 C38 1.518(19) .
C33 C34 1.535(17) .
C34 C35 1.375(18) .
C35 C36 1.429(16) .
C36 C37 1.431(18) .
C37 C38 1.436(18) .
